ethyl 2-(4-bromo-3-chlorophenyl)propanoate

C11H12BrClO2 — CID 105426704

IUPACethyl 2-(4-bromo-3-chlorophenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12BrClO2/c1-3-15-11(14)7(2)8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3
InChIKeyDOUVHSKQXUTDBX-UHFFFAOYSA-N
MW291.57 g/mol
LogP3.77
Rot. Bonds3

About ethyl 2-(4-bromo-3-chlorophenyl)propanoate

ethyl 2-(4-bromo-3-chlorophenyl)propanoate (PubChem CID 105426704) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is ethyl 2-(4-bromo-3-chlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-3-chlorophenyl)propanoate
PubChem CID105426704
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Nameethyl 2-(4-bromo-3-chlorophenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12BrClO2/c1-3-15-11(14)7(2)8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3
InChIKeyDOUVHSKQXUTDBX-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
ethyl 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate
CID 139880340
ethyl 2-(3-bromo-5-chlorophenyl)propanoate
CID 57458807
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
CID 83229955
ethyl 2-(8-chlorothianthren-2-yl)propanoate
CID 54439856
ethyl 2-(7-chlorothianthren-2-yl)propanoate
CID 54242124
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
CID 115818736
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-3-chlorophenyl)propanoate?
The IUPAC name of ethyl 2-(4-bromo-3-chlorophenyl)propanoate (CID 105426704) is ethyl 2-(4-bromo-3-chlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(4-bromo-3-chlorophenyl)propanoate?
The canonical SMILES for ethyl 2-(4-bromo-3-chlorophenyl)propanoate is CCOC(=O)C(C)c1ccc(Br)c(Cl)c1.
What is the InChIKey of ethyl 2-(4-bromo-3-chlorophenyl)propanoate?
The InChIKey is DOUVHSKQXUTDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO2/c1-3-15-11(14)7(2)8-4-5-9(12)10(13)6-8/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-bromo-3-chlorophenyl)propanoate?
ethyl 2-(4-bromo-3-chlorophenyl)propanoate has a molecular weight of 291.57 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-3-chlorophenyl)propanoate is sourced from PubChem (CID 105426704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).